Compound Detail
CHEMBL4514311
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C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4514311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEZZLZKHZPMELC-SESXWZJBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1555.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | Kd | 6.29 | 6.29 | 510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | Kd | = | 510.0 | nM | 6.29 | Binding affinity to Fc-labeled human PDL1 expressed in Escherichia coli by SPR s... | 30247903 |
| Programmed cell death 1 ligand 1 | Kd | = | 510.0 | nM | 6.29 | Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay | 33454550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30247903 | 10.1021/acs.jmedchem.8b00990 | Programmed cell death 1 ligand 1 | 1 |
| 33454550 | 10.1016/j.ejmech.2021.113170 | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine